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CHEBI:187215 - PA(18:3(6Z,9Z,12Z)/21:0)

ChEBI IDCHEBI:187215
ChEBI NamePA(18:3(6Z,9Z,12Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H77O8P
Net Charge0
Average Mass741.044
Monoisotopic Mass740.53561
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H77O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,22,26,28,40H,3-11,13,15-17,19-21,23-25,27,29-39H2,1-2H3,(H2,45,46,47)/b14-12-,22-18-,28-26-/t40-/m1/s1
InChIKeyMNHQXWQBHIRTRL-CSVJBOEHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(18:3(6Z,9Z,12Z)/21:0) (CHEBI:187215) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP10010389LIPID MAPS
113379069ChemSpider